2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide

C16H29N3OS — CID 107471836

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
SMILESCN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1cccs1
InChIInChI=1S/C16H29N3OS/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20)
InChIKeyCJYSHMKEQRQDQS-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.48
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide (PubChem CID 107471836) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
PubChem CID107471836
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
SMILESCN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1cccs1
InChIInChI=1S/C16H29N3OS/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20)
InChIKeyCJYSHMKEQRQDQS-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide (CID 107471836) is 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide is CN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide?
The InChIKey is CJYSHMKEQRQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide has a molecular weight of 311.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).